spirohexenolide A

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: spirohexenolide A
• 英文别名: (5S,7S,10R,16R)-16-hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
• 化学式: C₂₅H₂₈O₅
• 分子量: 408.494
• InChiKey: SWMOMSBFRQXQAA-UGBRUMQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  spirohexenolide A 在 吡啶 、 4-二甲氨基吡啶 、 copper(II) sulfate 、 sodium ascorbate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 3.0h， 生成 C₄₄H₄₇N₅O₉
  参考文献：
  名称：

  Spirohexenolide A Targets Human Macrophage Migration Inhibitory Factor (hMIF)

  摘要：

  Spirohexenolides A and B comprise a unique family of spirotetronate natural products. We report on the identification of their binding to and modulation of human macrophage migration inhibitor factor (hMIF). Using an immunoaffinity-fluorescent labeling method, the properties of this interaction are detailed and evidence is provided that hMIF plays a key role in the cytostatic activity of the spirohexenolides.

  DOI：

  10.1021/np3004497

文献信息

• WO2010/121226
  申请人：——

  公开号：——

  公开（公告）日：——
• Spirohexenolide A Targets Human Macrophage Migration Inhibitory Factor (hMIF)
  作者：Wei-Lun Yu、Brian D. Jones、MinJin Kang、Justin C. Hammons、James J. La Clair、Michael D. Burkart

  DOI：10.1021/np3004497

  日期：2013.5.24

  Spirohexenolides A and B comprise a unique family of spirotetronate natural products. We report on the identification of their binding to and modulation of human macrophage migration inhibitor factor (hMIF). Using an immunoaffinity-fluorescent labeling method, the properties of this interaction are detailed and evidence is provided that hMIF plays a key role in the cytostatic activity of the spirohexenolides.